10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid

Systemtic Name: 10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 10-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C(=O)O)SC3=C1C=CC=C3CCC(=O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)C(=O)O)SC3=C1C=CC=C3CCC(=O)O

InChI

InChI=1S/C18H16O4S/c19-16(20)9-8-13-3-1-2-12-6-4-11-5-7-14(18(21)22)10-15(11)23-17(12)13/h1-3,5,7,10H,4,6,8-9H2,(H,19,20)(H,21,22)